General Information of the Compound
| Compound ID |
CP0221290
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| Compound Name |
4-amino-6-methyl-11-oxo-13-phenyl-8-thia-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene-5-carbonitrile
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| Structure |
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| Formula |
C18H14N4OS
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| Molecular Weight |
334.404
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| Canonical SMILES |
Cc1c(C#N)c(N)nc2c3C(CC(=O)Nc3sc12)c1ccccc1
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| InChI |
InChI=1S/C18H14N4OS/c1-9-12(8-19)17(20)22-15-14-11(10-5-3-2-4-6-10)7-13(23)21-18(14)24-16(9)15/h2-6,11H,7H2,1H3,(H2,20,22)(H,21,23)
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| InChIKey |
SVSTYSYPFVAERR-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound